2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine

C16H26N2O — CID 103183234

IUPAC2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine
SMILESCCC1CCCC(OCc2ncc(C)c(N)c2C)C1
InChIInChI=1S/C16H26N2O/c1-4-13-6-5-7-14(8-13)19-10-15-12(3)16(17)11(2)9-18-15/h9,13-14H,4-8,10H2,1-3H3,(H2,17,18)
InChIKeyPRNYJEJGAYUKBB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.77
Rot. Bonds4

About 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine

2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103183234) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine
PubChem CID103183234
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine
SMILESCCC1CCCC(OCc2ncc(C)c(N)c2C)C1
InChIInChI=1S/C16H26N2O/c1-4-13-6-5-7-14(8-13)19-10-15-12(3)16(17)11(2)9-18-15/h9,13-14H,4-8,10H2,1-3H3,(H2,17,18)
InChIKeyPRNYJEJGAYUKBB-UHFFFAOYSA-N
XLogP3.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine (CID 103183234) is 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine is CCC1CCCC(OCc2ncc(C)c(N)c2C)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is PRNYJEJGAYUKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13-6-5-7-14(8-13)19-10-15-12(3)16(17)11(2)9-18-15/h9,13-14H,4-8,10H2,1-3H3,(H2,17,18).
What are the key properties of 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine?
2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)oxymethyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103183234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).